5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C8H12N4O3 — CID 62400194

IUPAC5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CCO)nn2)O1
InChIInChI=1S/C8H12N4O3/c13-2-1-6-4-12(11-10-6)5-7-3-9-8(14)15-7/h4,7,13H,1-3,5H2,(H,9,14)
InChIKeyHHSHREMCRJPQGW-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.08
Rot. Bonds4

About 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 62400194) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID62400194
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CCO)nn2)O1
InChIInChI=1S/C8H12N4O3/c13-2-1-6-4-12(11-10-6)5-7-3-9-8(14)15-7/h4,7,13H,1-3,5H2,(H,9,14)
InChIKeyHHSHREMCRJPQGW-UHFFFAOYSA-N
XLogP-1.08
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 62400194) is 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(CCO)nn2)O1.
What is the InChIKey of 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is HHSHREMCRJPQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-2-1-6-4-12(11-10-6)5-7-3-9-8(14)15-7/h4,7,13H,1-3,5H2,(H,9,14).
What are the key properties of 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 212.21 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62400194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).